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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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66151 46500007 2 NO3C11H11 AB3C11D11 -192.31 5.78 -8.81 -0.58 0
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66152 46500014 1 SN3O4H15C17 AB3C4D15E17 -74.68 10.9 -9.08 -1.56 0
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66153 46500022 1 NO5H21C26 AB5C21D26 -91.94 4.48 -8.73 -1.25 0
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66154 46500025 1 N2O2F3C19H21 A2B2C3D19E21 -211.34 11.39 -8.92 -0.68 0
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66155 46500330 1 BrO4N8C16H17 AB4C8D16E17 64.35 3.28 -8.68 -1.61 0
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66156 46500332 1 FO4N8H21C22 AB4C8D21E22 39.93 2.16 -8.45 -1.56 0
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66157 46500336 1 FON6H9C10 ABC6D9E10 81.4 1.9 -9.1 -1.27 0
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66158 46500338 2 ON3C9H13 AB3C9D13 51.47 3.14 -8.56 -1.31 0
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66159 46500339 1 O4N7C13H15 A4B7C13D15 14.02 2.2 -8.7 -1.28 1
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66160 46500341 1 BrNO2H17C18 ABC2D17E18 -8.46 3.64 0.0 0.0 1
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66161 46500344 1 ClNOH19C20 ABCD19E20 8.66 3.18 0.0 0.0 0
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66162 46500346 1 ClOSN2H15C24 ABCD2E15F24 97.68 4.46 -8.57 -1.44 1
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66163 46500347 1 NO3H24C25 AB3C24D25 -34.03 5.74 0.0 0.0 0
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66164 46500351 1 S2O3N7C16H23 A2B3C7D16E23 -32.05 2.86 -9.12 -0.55 0
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66165 46500353 1 BrSN3O3H14C19 ABC3D3E14F19 6.44 8.94 -8.6 -1.44 0
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66166 46500360 1 F3N4C17H17 A3B4C17D17 -70.37 4.92 -8.8 -0.99 0
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66167 46500362 1 SN3O3H17C20 AB3C3D17E20 19.34 5.73 -8.7 -1.73 0
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66168 46500364 1 SF2O4N5H19C20 AB2C4D5E19F20 -159.02 5.83 -8.92 -0.86 0
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66169 46500367 1 BrO2N3H16C21 AB2C3D16E21 37.19 3.28 -9.16 -0.86 0
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66170 46500368 1 NO2F3C15H18 AB2C3D15E18 -235.85 5.27 -9.49 -0.55 0
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66171 46500374 1 FSN3O3C22H22 ABC3D3E22F22 -65.22 2.88 -8.44 -1.07 0
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66172 46500375 1 SN3O3H15C19 AB3C3D15E19 -30.14 4.79 -8.84 -2.1 0
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66173 46500376 1 BrSN3O3H14C19 ABC3D3E14F19 -27.05 2.95 -8.89 -2.27 0
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66174 46500377 1 N2F3O3C21H27 A2B3C3D21E27 -268.44 5.47 -8.61 -0.23 0
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66175 46500378 1 N2O4F5C15H15 A2B4C5D15E15 -401.38 3.22 -8.89 -0.66 0
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66176 46500379 1 ClN2O2F3C17H20 AB2C2D3E17F20 -234.56 4.45 -9.68 -0.96 0
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66177 46500382 1 ClSN2O2F3C17H20 ABC2D2E3F17G20 -225.08 5.11 -8.74 -0.43 0
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66178 46500384 1 F3O3H21C23 A3B3C21D23 -225.36 7.57 -9.05 -1.31 0
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66179 46500385 1 N2F3O3C18H23 A2B3C3D18E23 -251.77 6.4 -9.02 -0.23 0
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66180 46500386 1 N4O6C19H28 A4B6C19D28 -175.64 1.27 -8.64 -0.88 0
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66181 46500388 1 BrO2N4H7C9 AB2C4D7E9 -36.11 4.98 -9.29 -1.53 0
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66182 46500389 3 NC5H5 AB5C5 48.38 2.02 -7.92 -0.86 1
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66183 46500391 1 NOC20H22 ABC20D22 18.79 2.74 0.0 0.0 1
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66184 46500392 1 NOC21H24 ABC21D24 12.76 2.85 0.0 0.0 1
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66185 46500393 1 NO3C23H26 AB3C23D26 -73.72 6.15 0.0 0.0 1
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66186 46500394 1 NO2C21H22 AB2C21D22 -26.76 1.1 0.0 0.0 1
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66187 46500395 1 N2O2C19H19 A2B2C19D19 50.36 7.55 0.0 0.0 0
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66188 46500400 1 ON4H12C18 AB4C12D18 100.08 1.16 -8.73 -1.75 0
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66189 46500401 1 N3O3H11C16 A3B3C11D16 -2.36 6.19 -9.26 -1.82 0
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66190 46500403 1 ON2S2H18C21 AB2C2D18E21 47.04 9.88 -8.17 -1.38 1
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66191 46500405 1 ON2C21H23 AB2C21D23 40.58 2.75 0.0 0.0 1
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66192 46500407 1 NOC18H18 ABC18D18 11.58 1.49 0.0 0.0 0
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66193 46500408 1 ClN2O3S3H17C19 AB2C3D3E17F19 -31.71 12.49 -8.83 -2.05 1
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66194 46500409 1 ClN2O3S3H18C19 AB2C3D3E18F19 -60.3 8.97 0.0 0.0 1
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66195 46500411 1 ClN2O3S3H18C19 AB2C3D3E18F19 -56.5 6.21 0.0 0.0 1
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66196 46500415 1 SN2C15H15 AB2C15D15 73.34 4.33 0.0 0.0 0
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66197 46500417 1 NSO2H11C20 ABC2D11E20 25.35 2.19 -8.39 -1.77 0
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66198 46500418 1 N2S3O4C21H22 A2B3C4D21E22 -93.94 13.35 -8.63 -1.83 1
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66199 46500420 1 ON2S2C19H19 AB2C2D19E19 27.91 3.39 0.0 0.0 0
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66200 46500421 1 N2S3O4C21H22 A2B3C4D21E22 -94.48 16.91 -8.73 -1.98 1
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66201 46500422 1 N2S3O4C21H23 A2B3C4D21E23 -116.41 1.39 0.0 0.0 1
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66202 46500423 1 SN2H21C22 AB2C21D22 89.06 2.93 0.0 0.0 1
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66203 46500424 1 OSN2C17H19 ABC2D17E19 16.99 2.91 0.0 0.0 1
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66204 46500425 1 ON2S2C20H21 AB2C2D20E21 19.95 4.93 0.0 0.0 1
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66205 46500427 1 OSN2C23H25 ABC2D23E25 11.92 4.7 0.0 0.0 1
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66206 46500428 1 OSN2C23H25 ABC2D23E25 11.46 4.71 0.0 0.0 0
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66207 46500431 1 ClN2F3O4C23H24 AB2C3D4E23F24 -314.67 9.86 -9.66 -0.87 0
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66208 46500432 1 ClNO4C15H16 ABC4D15E16 -90.08 8.27 -9.2 -1.67 0
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66209 46500433 1 ClO2N3H18C21 AB2C3D18E21 -15.68 4.09 -8.28 -0.96 0
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66210 46500434 1 ClO2N4H17C21 AB2C4D17E21 2.47 8.74 -8.81 -1.15 0
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66211 46500435 1 NSO6H21C24 ABC6D21E24 -140.49 5.03 -8.44 -2.0 0
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66212 46500437 1 N2O2S2H10C17 A2B2C2D10E17 46.08 3.44 -8.86 -1.74 0
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66213 46500438 2 N2O2H6C7 A2B2C6D7 16.06 8.31 -9.61 -1.4 0
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66214 46500439 1 NSO5H21C22 ABC5D21E22 -118.8 3.05 -8.69 -1.32 0
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66215 46500440 1 NSO4H17C20 ABC4D17E20 -89.96 5.06 -8.96 -1.19 0
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66216 46500441 1 NOSCl2C12H13 ABCD2E12F13 -31.0 3.14 -8.98 -0.46 0
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66217 46500442 1 SO4N5H11C14 AB4C5D11E14 53.44 2.45 -10.27 -1.89 0
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66218 46500447 1 N4O5H18C24 A4B5C18D24 -9.24 2.21 -9.21 -1.82 0
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66219 46500448 1 ON3C20H27 AB3C20D27 6.86 5.24 -9.17 -0.3 0
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66220 46500450 1 NF3O3H18C20 AB3C3D18E20 -210.05 8.54 -8.84 -0.74 0
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66221 46500451 1 ClNO2F3H15C19 ABC2D3E15F19 -181.28 6.77 -9.19 -0.92 0
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66222 46500452 1 BrN2O2F3H16C20 AB2C2D3E16F20 -178.18 6.2 -9.03 -1.4 0
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66223 46500455 1 NO2F3C23H24 AB2C3D23E24 -197.43 7.15 -8.99 -0.89 0
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66224 46500457 1 NO2F3H18C20 AB2C3D18E20 -180.37 7.81 -9.03 -0.79 0
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66225 46500460 1 BrNO2F3H21C22 ABC2D3E21F22 -184.05 8.26 -9.03 -1.16 0
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66226 46500461 1 BrNO2F3H15C19 ABC2D3E15F19 -169.78 7.7 -9.06 -1.32 0
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66227 46500462 1 BrN2O2F3C19H20 AB2C2D3E19F20 -212.82 5.79 -9.57 -1.44 0
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66228 46500463 1 BrN2F3O3H14C19 AB2C3D3E14F19 -200.19 6.24 -8.77 -1.46 0
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66229 46500464 1 BrNF3O3H17C20 ABC3D3E17F20 -202.12 6.56 -9.13 -1.01 0
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66230 46500465 1 N2O2F3H17C20 A2B2C3D17E20 -184.0 4.64 -9.21 -1.11 0
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66231 46500466 1 BrN2O2F4H11C18 AB2C2D4E11F18 -201.38 8.18 -9.49 -1.27 0
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66232 46500469 1 NO2F3H18C20 AB2C3D18E20 -182.76 7.83 -8.98 -0.8 0
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66233 46500471 1 NO2F3H20C21 AB2C3D20E21 -189.65 8.96 -8.94 -0.76 0
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66234 46500472 1 NF3O3H20C21 AB3C3D20E21 -217.04 7.37 -8.72 -0.71 0
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66235 46500473 1 BrNF3O3H15C19 ABC3D3E15F19 -197.18 7.84 -9.14 -1.14 0
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66236 46500478 1 FO2N4C17H25 AB2C4D17E25 -33.48 7.62 -8.69 -0.75 0
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66237 46500479 1 FO2N5C17H26 AB2C5D17E26 -20.28 7.44 -8.89 -0.96 0
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66238 46500480 1 FO2N4C17H25 AB2C4D17E25 -38.51 8.08 -8.56 -0.74 0
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66239 46500482 1 BrO2N3H20C23 AB2C3D20E23 1.43 7.44 -8.79 -0.86 0
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66240 46500483 1 BrO2N3H22C24 AB2C3D22E24 3.84 8.83 -8.41 -0.54 0
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66241 46500486 1 ClSN2O6H13C17 ABC2D6E13F17 -169.24 5.64 -9.35 -1.49 0
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66242 46500489 1 NOF3H10C15 ABC3D10E15 -104.02 2.28 -8.82 -1.42 0
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66243 46500618 2 NOC11H11 ABC11D11 -16.26 4.39 -7.9 -1.51 0
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66244 46500619 1 O2N3C22H23 A2B3C22D23 3.73 2.08 -8.12 -1.58 0
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66245 46500621 1 N3O3C23H25 A3B3C23D25 -34.01 0.7 -7.9 -1.57 0
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66246 46500624 1 ClN2O2H17C20 AB2C2D17E20 -8.75 5.49 -8.23 -1.7 0
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66247 46500625 1 ClO2N3H20C21 AB2C3D20E21 4.63 4.06 -8.5 -1.81 0
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66248 46500626 1 ClO2N3H20C21 AB2C3D20E21 3.48 4.31 -8.48 -1.85 0
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66249 46500627 1 F2O2N3H19C21 A2B2C3D19E21 -80.39 5.51 -8.51 -1.81 0
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66250 46501019 1 SN3O10C21H23 AB3C10D21E23 -244.67 4.88 -9.42 -2.33 0